2254 SMILES Strings for Beta-lactamase

Compound Name
SMILES String
C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O |r|
CC(C)(C)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 |r|
CCc1c(C)[nH]n(-c2nn[n-]n2)c1=O
O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12|
[O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
[O-]C(=O)CN1C(=O)O[C@H](C1=O)c1ccccc1
O=C1N(CCc2nn[n-]n2)C(=O)c2ccccc12
O=c1n(Cc2nn[n-]n2)cnc2sc3CCCCc3c12
Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2ccccc12
Cc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2cccnc12
CCCc1nc2ccc(Cl)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CC(C)c1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CCCCc1nc2ccc(O)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
C(Oc1ccc2c3CCC=Cc3[nH]c2c1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |c:9|
Oc1ccc2c3CCC=Cc3n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:8|
C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2C=CCCc2c2ccccc12 |c:23|
CCCCc1nc2CCSc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
OB(O)CNC=O
CC(=O)NCB(O)O
B(CNC(=O)Cc1ccccc1)(O)O
OB(O)CNC(=O)COc1ccccc1
CC(Oc1ccccc1)C(=O)NCB(O)O
Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O
B(CNC(=O)Cc1cccs1)(O)O
OB(O)CNC(=O)CCl
OB(O)CNC(=O)CSc1ccncc1
CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1
CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
B(O)(O)O
CB(O)O
B(c1cccc(c1)N)(O)O
B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O
Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
Cn1ncc(c1Cl)S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NC(=O)c2cc3ccccc3s2)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc3NSNc23)c1
OB(O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
OB(O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
OB(O)c1cccc(NC(=O)c2ccc(o2)N(=O)=O)c1
CN(C)S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NC(=O)CCl)c1
OB(O)c1cccc(NC(=O)OCc2ccccc2)c1
OB(O)c1cccc(NC(=O)c2cccc(c2)C#N)c1
OB(O)c1cccc(NC(=O)c2ccc(cc2)N(=O)=O)c1
OB(O)c1cccc(NC(=O)c2cccc(c2)N(=O)=O)c1
OB(O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
OB(O)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1
CC(=O)c1sccc1S(=O)(=O)Nc1cccc(c1)B(O)O
COc1ccc(cc1)C(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2cc(n(n2)C(F)(F)F)C(F)(F)F)c1
OB(O)c1cccc(NC(=O)c2ccc(cc2)C#N)c1
OB(O)c1cccc(NC(=O)Cc2cccs2)c1
OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1
Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1
OC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Cn1cc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c2ccccc12
OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
OC(=O)[C@@H](Cc1ccc2ccccc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Cc1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c(C)c1
CC(C)(C)c1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)cc1
OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
OC(=O)[C@@H](Cc1c2ccccc2cc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S
CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
OP(O)(=O)C(=C)c1cccc2ccccc12
S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12 |(10.99,-1.19,;9.53,-1.67,;9.05,-3.14,;7.51,-3.14,;7.04,-1.67,;5.57,-1.19,;5.1,.27,;3.56,.27,;3.08,-1.19,;4.33,-2.1,;8.28,-.77,;8.28,.77,;6.95,1.54,;6.95,3.08,;8.28,3.85,;9.62,3.08,;10.99,3.91,;12.39,3.12,;12.39,1.51,;10.99,.72,;9.62,1.54,)|
COc1ccc(cc1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cc(OC)ccc1OC
Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1
O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
OC(=O)C1Sc2[nH]c(=O)sc2C2C1C(=O)Oc1ccc(Cl)cc21
OP(O)(=O)c1ccccc1OCc1ccccc1
CCOC(=O)N=S(N)(=O)c1ccccc1
CCOC(=O)c1[nH]c(C(O)=O)c(CCC(=O)OC)c1C
Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
COc1ccc(cc1)-c1cc(nc(n1)N1CCN(C)CC1)C(F)(F)F
OC(=O)Cn1cccc1C(=O)c1ccccc1
OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O
S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18|
Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccccc1
CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
CCCCn1c(n[nH]c1=S)-c1ccoc1C
Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O
CCCCn1c(n[nH]c1=S)-c1nn(C)cc1Cl
CCCCn1c(n[nH]c1=S)-c1nn(C)c(C)c1Cl
CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12
CC(C)Cn1c(n[nH]c1=S)-c1ccco1
S=c1[nH]nc(C2CC2)n1Cc1ccco1
Cc1n[nH]c(=S)n1-c1cccc(C)c1C |(3.08,1.17,;4.54,1.64,;5.02,3.11,;6.56,3.11,;7.04,1.64,;8.5,1.17,;5.79,.74,;5.79,-.8,;7.12,-1.57,;7.12,-3.11,;5.79,-3.88,;4.46,-3.11,;3.12,-3.88,;4.46,-1.57,;3.12,-.8,)|
Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+]([O-])=O
Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1
COc1ccc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1 |w:10.10|
COc1cc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)cc1OC |w:9.9|
Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1
Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
[#8]-[#6](=O)-[#6](\[#7]-[#6](=O)-c1ccccc1)=[#6](/Cl)Cl
OC(=O)CC\C(=C/c1cc(ccc1Cl)[N+]([O-])=O)c1nc2ccccc2s1
Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1
CC1=C(N2C(SC1)C(NC(=O)c1nn(C)cc1[N+]([O-])=O)C2=O)C(O)=O |t:1|
CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18|
O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1cccs1
[H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1cccnc1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1CCCN1CCOCC1
CCCCn1c(n[nH]c1=S)-c1sccc1C
CC(=O)c1ccc(cc1)-c1ccc(Cn2c(C)nc3cc(N)c(C)nc23)cc1
CCCn1c(n[nH]c1=S)C(C)C
CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
COc1ccc(cc1OC)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
CC(=C)Cn1c(n[nH]c1=S)-c1cccs1
[O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
CC(C)(C)c1ccc(COc2ccsc2C(O)=O)cc1
Cn1c(n[nH]c1=S)-c1sccc1OCc1ccc(Cl)cc1Cl
CCn1c(n[nH]c1=S)-c1nn(ccc1=O)-c1ccccc1
OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 |w:12.11|
OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
CCc1n[nH]c(=S)n1N=Cc1ccc(NC(C)=O)cc1 |w:8.8|
C=CCn1c(n[nH]c1=S)C1CC1
S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
CC1CCCCC1n1c(n[nH]c1=S)-c1cccnc1
OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=CC2CCC=CC2)c1 |w:15.14,c:20|
S=c1[nH]nc(C2CC2)n1Cc1ccccc1
Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
CSc1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2OCCOc2c1
[O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1F |w:10.11|
[H]C12CCC([H])(C1)C(C2)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S |TLB:9:7:6:3.2|
S=c1[nH]nc(Cn2c(nc3ccccc23)-c2ccccn2)n1-c1ccc2OCCOc2c1
c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N
O[As](O)(=O)c1cc(ccc1-c1ccccc1)[N+]([O-])=O
OC(=O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
OC(=O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
COCC(C)NC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
COc1cc2CCN(C(C)c2cc1OC)C(=O)c1nccnc1C(O)=O
CC(C=Nn1c(C)n[nH]c1=S)=Cc1ccccc1 |w:3.3,11.12|
CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
Cc1n[nH]c(C)c1CCCCOc1ccc(cc1)[N+]([O-])=O
Clc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1Br |w:7.7|
CSC[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
COc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.28,1.17,;11.04,2.07,)|
C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](C)C(O)=O)c12
OC(=O)c1c2CSCn2c(c1C(O)=O)-c1ccc(Br)cc1
Cc1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
OC(=O)COc1ccccc1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:12.13|
COc1ccc2[nH]c(C(O)=O)c(CCN3C(=O)c4ccc(cc4C3=O)C(O)=O)c2c1
OC(=O)c1ccccc1C(=O)c1cccc2ccccc12
Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
Fc1cccc(F)c1C(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1
OC(=O)\C=C\c1nnc2c3ccccc3cnn12
Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCOCC1
O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12
CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(O)=O)ccc12
Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
Cc1cc(OCC(=O)N2CCC[C@@H]2C(O)=O)c2c(C)c(C)c(=O)oc2c1
CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
Cc1c(C)c(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCn2ccnc2)C1=O
Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1 |t:8|
Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c3CCCc3c(=O)oc12
Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
CCCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
Fc1ccc(CNC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
Clc1ccccc1CNC(=O)CSc1nnc(NC(=O)C2CC2)s1
Cc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
Fc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
[O-][N+](=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
Clc1ccc(Br)cc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
CC(=O)N(c1sc(=O)n(c1O)-c1ccccc1)c1cccc(C)c1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
O=C1CCn2cnc3cccc4ccc1c2c34
CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
CC(N=O)c1ccc2c3CCCCc3[nH]c2c1
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1
c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2
COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O
CC(C)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
COc1ccc2c(Cl)c(sc2c1Cl)C(=O)NCCCn1ccnc1
Cc1nn(c(Cl)c1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
Oc1c2C(C=CC(c2c(O)n1-c1ccncc1)c1ccccc1)c1ccccc1 |c:4|
CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
Oc1c2C(C=CC(c2c(O)n1-c1ccccn1)c1ccccc1)c1ccccc1 |c:4|
CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:6,8|
N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:5,7|
CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
CN1\C(=C/C=C2\C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc12
CCOC(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2nonc12
N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
[#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
OC(=O)c1ccccc1-c1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)o1 |w:13.13|
Oc1ccc2C(=O)N(Cc3ccco3)C(=O)c3cccc1c23
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:8,10|
[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:9,11|
N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:11,14|
COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O |c:5|
COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
OP(O)(=O)c1cc(oc1-c1ccccc1)-c1ccccc1
CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC
CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
Nc1ccc2ccc3cccc[n+]3c2c1
CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
CC(C)n1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)c2ccccc12 |w:7.6|
Cc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
[O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12
COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|
COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
CNc1ccc2C(=O)N(C)C(=O)c3cccc1c23
Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cc1
Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
CC(=O)Nc1ccc(cc1)N1C(=O)c2cccc3c(O)ccc(C1=O)c23
CN1C(=O)c2cccc3c(N)ccc(C1=O)c23
CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
CC(C)(C)c1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:11|
CN(C)c1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)cc1 |t:13|
Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Oc1c(Cl)cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
COC(=O)c1sccc1NC(=O)c1ccc(cc1)C#N
CCOc1cc2CC(C)Oc2cc1\C=C\c1noc(C)c1[N+]([O-])=O
FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
COc1ccccc1-c1csc(n1)-n1ncc(C#N)c1N
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1 |w:3.3|
COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 |w:10.11|
CCOc1ccc(cc1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
Fc1ccc(cc1)N1N\C(S\C1=C1\C(=O)C=Cc2ccccc12)=[NH+]\c1ccccc1 |c:17|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|
FC(F)(F)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
CC(Nc1nc(cs1)-c1ccc(C)cc1)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C)cc1
COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1 |w:19.21|
CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
Clc1ccc(\C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1
CCOc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
CCCCC(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(O)=O
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Nc1c(sc2nc(cc(-c3ccco3)c12)-c1ccccc1)C#N
O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
O=S(=O)(Nc1cccc2ncccc12)c1cccs1
CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12
CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1
CCOC(=O)c1nc(ncc1Cl)S(C)(=O)=O
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(Br)ccc(C1=O)c23
CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
Clc1ccccc1C(=O)OCn1ncc(Br)c(Br)c1=O
COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
COc1ccc(CS(=O)(=O)C(\Cl)=C(\Cl)C(=O)Nc2ccc(OC)nc2)cc1
Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1c(C)cccc1C |w:5.4,(3.08,-3.83,;4.54,-3.36,;5.02,-1.89,;6.56,-1.89,;7.47,-.65,;6.84,.76,;7.74,2.01,;7.12,3.41,;8.02,4.66,;7.4,6.07,;5.87,6.23,;4.96,4.98,;5.59,3.58,;5.47,7.72,;6.56,8.8,;3.98,8.11,;7.04,-3.36,;8.5,-3.83,;5.79,-4.26,;5.79,-5.8,;4.46,-6.57,;3.12,-5.8,;4.46,-8.11,;5.79,-8.88,;7.12,-8.11,;7.12,-6.57,;8.46,-5.8,)|
COc1cc2n(Cc3cccc(C)c3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
CC1C\C(=C\c2cccn2C)C(=O)\C(C1)=C\c1cccn1C
Cn1cccc1\C=C1/CCC\C(=C/c2cccn2C)C1=O
CS(=O)(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1ccccc1
COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
CCCN1C(=S)N\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O
Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1cccs1)C#N
Clc1ccc(cc1)S(=O)c1snnc1C(=O)Nc1ccccc1
Brc1cc(Br)c2nc(ccc2c1)-c1ccc(cc1)N1CCOCC1
CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1
[O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
[O-][N+](=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
CC(C)OC(=O)c1sc2nc(ccc2c1N)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1
Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccc(OC)cc1
COc1ccc(cc1)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
OC(CN1CCCCCC1)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
CCCCN(C)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O
CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
Cn1c(nc2ccccc12)-c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 |(8.02,2.9,;9.56,2.9,;10.46,1.66,;11.91,2.13,;11.92,3.66,;13.07,4.69,;12.75,6.2,;11.28,6.67,;10.14,5.65,;10.46,4.14,;9.98,.2,;10.88,-1.04,;12.42,-1.04,;9.98,-2.28,;10.46,-3.75,;11.96,-4.06,;12.44,-5.53,;11.41,-6.67,;9.91,-6.36,;9.43,-4.89,;8.52,-1.81,;7.19,-2.58,;5.85,-1.81,;4.48,-2.64,;3.08,-1.85,;3.08,-.24,;4.48,.55,;5.85,-.27,;7.19,.5,;8.52,-.27,)|
COc1ccc(cc1OC)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N
Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O
Oc1n(-c2ccc(Cl)cc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
Nc1cc(Cl)c2nonc2c1[N+]([O-])=O
Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|
COc1ccccc1N1N=C(CC1c1ccccc1)c1cccs1 |c:10|
CC(C)CNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
Cc1cccc(c1)N1C(=O)\C(=C/c2ccc(OC(F)F)cc2)c2ccccc2C1=O
Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c1Cl
CCCCNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O
COc1cc(OC)nc(n1)-n1ncc(Br)c(Br)c1=O
CNC(=S)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 |w:5.4|
Clc1ncnc2n(-c3ccccc3)c(=S)sc12
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc2ccccc2c1
Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
[O-][N+](=O)c1ccc(cc1)[C-]1N[N+](Cc2ccccc2)=C2C1C(=O)NC2=O |c:20|
Oc1ccccc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Cn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
O=c1ccc2cc3CCCN4CCCc(c34)c2o1
CCC(=O)c1ccc(C=Cc2nc3ccccc3n2C)o1 |w:9.9|
Clc1c(CN2CCCCC2)c(=O)oc2ccccc12
[O-][N+](=O)c1ccc(cc1)-c1ccc(CN=Nc2nc(NCc3ccccc3)nc(n2)N2CCOCC2)o1 |w:15.16|
[#6]-[#6]C1([#6])[#8]\[#6](=[#6]/[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)-[#6]=[#6](-[#8]1)-c1ccccc1 |c:18|
Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
CNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)S(=O)c1snnc1C(=O)N1CCOCC1
CCCNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
Cl\C(C(=O)Nc1ccccc1Cl)=C(\Cl)S(=O)c1ccccc1
Nc1ccc-2c(Cc3cc(ccc-23)[N+]([O-])=O)c1
CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1ccc2OCOc2c1 |w:2.1|
CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:3.3|
CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
CCN(CC)c1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1 |w:9.8|
ClCCCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
Clc1ccc(N2C(=O)C=CC2=O)c(c1)C(=O)c1ccccc1 |c:8|
CC[C@H](C)\C=C(/C)\C=C\C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(C)=O |c:24,t:9,11|
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
COc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(OC)c1
COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
Nc1c(sc2nc(ccc12)-c1ccccc1)C(=O)N1CCCC1
[O-][N+](=O)c1cnc(Sc2ccncn2)s1
Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O |w:6.6|
Cc1cc2nc(C=Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
Oc1ccc(cc1\C=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O)[N+]([O-])=O |c:23|
Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
[H][C@@]12C[C@@H](C)[C@]3([H])C4OC4C(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2
[O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Nc1c(sc2nsc(SCCN3CCCCC3)c12)C(=O)c1cccs1
[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Nc1ccc2nc(cnc2c1)-c1ccccc1
CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C/c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)N=NC=CCc1ccco1 |w:9.9,12.13|
C=CCN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12
CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
Oc1cccc(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c1
COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Cc1ccc(cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)C(O)=O
CC(=O)Oc1ccc(cc1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
[O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
CC(=O)Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Oc1ccccc1C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
CN(C)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1
[O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
COc1cc2oc3cc(ccc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
COc1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)cc1O |w:8.8|
CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
NNC(=O)c1oc2nc(cc(-c3ccccc3)c2c1N)-c1ccc(Cl)cc1
COc1cccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)c1
Oc1cc2ccccc2c(=O)n1-c1ccccc1
O=C(C#Cc1ccccc1)c1ccco1
CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
Cc1ccc(cc1)-n1c(O)cc2ccccc2c1=O
Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
COc1ccc(OC)c(\C=C\c2nc3ccccc3[nH]c2=O)c1
COc1ccc(cc1OC)-c1cc2ccc(O)cc2oc1=O
Brc1c[nH]n2c1nnc1ccc(=O)cc21
CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
Fc1ccc(cc1)-[n+]1nc(Nc2ccccc2)sc1-c1c2ccccc2cc2ccccc12 |(,7.81,;1.51,7.49,;2.54,8.64,;4.04,8.32,;4.52,6.85,;3.49,5.71,;1.98,6.03,;6.03,6.53,;6.5,8,;8.04,8,;8.95,9.24,;8.32,10.65,;9.23,11.9,;8.6,13.3,;7.07,13.46,;6.16,12.22,;6.79,10.81,;8.52,6.53,;7.27,5.63,;7.27,4.09,;8.6,3.32,;9.98,4.14,;11.38,3.35,;11.38,1.75,;9.98,.95,;8.6,1.78,;7.27,1.01,;5.94,1.78,;4.56,.95,;3.17,1.75,;3.17,3.35,;4.56,4.14,;5.94,3.32,)|
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccc(N)cc1
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)ccc2nonc12
CCC(C)Sc1ccc(cc1)-c1nc2cnccn2c1NC1CCCCC1
FC(F)(F)c1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12
CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
CC1=C2N=c3cc(O)ccc3=C2CCN1 |c:1,11,t:3|
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
CC[Hg]Sc1ccccc1C([O-])=O
[O-][N+](=O)c1cc(c(C#N)c(c1)S(=O)(=O)Cc1ccccc1)[N+]([O-])=O
Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
C1CCC(CC1)Nc1c(nc2cnccn12)-c1cccc(SC2CCCCC2)c1
COc1ccc(cc1-c1cccc(Cl)c1)-c1nc2cnccn2c1NC1CCCCC1
CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCCCC
CCCCNc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1
Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Fc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
FC(F)(F)c1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(cc1)N(C)C
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NCc1cccs1
Oc1c(Cl)c(N=CCc2ccccc2)c(O)c2ccccc12 |w:5.4|
CCN(CC)c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)cc1 |w:10.9|
O=C1C=CC(=O)N1CCCCCCCCCCN1C(=O)C=CC1=O |c:2,21|
CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Clc1ccc(cc1)C(=O)CSc1nc(ccc1C#N)-c1ccco1
O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O |c:2,18|
Brc1ccc(Br)c(=O)c(Br)c1
ClC1=C(Oc2ccccc2)C(=O)c2ccccc2C1=O |c:1|
COc1ccccc1NS(=O)(=O)c1cc(ccc1N=[NH+]Cc1c[n-]c2ccccc12)[N+]([O-])=O |w:18.19|
CC(=O)Nc1ccc-2c(Cc3cc(ccc-23)N2C(=O)C=CC2=O)c1 |c:21|
CC(O)CN(CC(C)O)c1ccc-2c(Cc3cc(ccc-23)[N+]([O-])=O)c1
FC(F)(F)C(=O)NC1c2ccccc2-c2ccc(cc12)N1C(=O)C=CC1=O |c:26|
[H]C12CCC3C(C1O)(C(=O)C2=C)C1(O)OCC32CCCC(C)(COC(C)=O)C2C1O |TLB:7:6:4.3.2:8.10|
CC(=NNC(=S)N1CCN(CC1)c1ccccn1)c1nccs1 |w:2.2|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O |c:6|
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]
O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)O2)C=C1 |c:2,26|
COc1ccc(C[C@@H]2OC3(O[C@H]2Cc2ccc(OC)cc2)C=CC(=O)C=C3)cc1 |c:23,27|
COc1ccc(cc1OC)C1C(COC(C)=O)C(=C)C(=O)c2sccc12
CCN(CC)c1ccc(cc1)[C+](c1ccccc1)c1ccc(cc1)N(CC)CC
COc1cc(ccc1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O |c:12,20|
[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)Cc1ccccc1
COc1ccccc1N(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:13|
Cc1ccc(cc1)S(=O)(=O)C=CS(=O)(=O)c1ccc(C)cc1
[O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
FC(F)(F)c1ccc2sn(-c3ccccc3)c(=O)c2c1
CC(=O)Nc1ccc2c(c1)sn(-c1ccccc1)c2=O
FC(F)(F)c1ccccc1CNC(=O)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(CC1)N1CCCCC1
COc1ccc(OC)c(\C=C\c2ccc(cc2)[N+]([O-])=O)c1
CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
Clc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
Cc1noc2ncnc(Sc3ccccc3Cl)c12
Cc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12
Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:8|
O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
[O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
[#6]-[#6]1=[#6]-[#6](=O)-[#6]=[#6](-[#6])\[#6]-1=[#7]\[#8]S(=O)(=O)c1ccccc1 |t:1,5|
Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CCc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
O=c1n(sc2ccccc12)-c1ccccc1
COc1cc(\C=C\[N+]([O-])=O)ccc1O
Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
[O-][N+](=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
Clc1cnn(-c2ccccc2)c(=O)c1Cl
ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
[O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12
CC(C)(C=O)C1=CC(=O)c2ccccc2C1=O |t:5|
Clc1cccc(c1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Brc1ccc(cc1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
[O-][N+](=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1
[O-][N+](=O)c1cc(\C=N\NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl
COc1ccc(cc1)C(C[N+]([O-])=O)n1nc(C)cc1C
O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccc(cc1)-c1ccccc1 |c:11,13|
Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
CC(NC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1ccccc1
CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1 |w:9.10,c:1,5|
C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1 |w:7.8|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(c1)C#N
CN(CC(=O)Nc1ccc(C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Cc1cc(SC#N)cc(C)c1NC(=O)CCl
Cc1ccccc1Oc1cc(ncn1)-n1ncc(Cl)c(Cl)c1=O
[H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|
Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O
COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O |w:12.13|
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1c2ccccc2C(C)=CC1(C)C |c:23|
CCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
COc1cc2OCOc2cc1\C=C\[N+]([O-])=O
[O-][N+](=O)\C=C/c1ccc(cc1)N1CCOCC1
Cc1nc(c(Br)n1Cc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2Cl)cc1
COc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:9|
Cc1ccc(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12
Cc1ccc(cc1)-n1ncc(Br)c(Br)c1=O
O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O |c:10|
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
CN1CCN(CC1)c1ccc(NC(=O)c2c3CN(Cc4ccccc4)CCc3nc3ccccc23)c(C)c1
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCc1nnc(o1)-c1ccccc1
CCC(=O)Nc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
O=C(\C=C1/C(=O)Nc2ccccc12)/C=C1\C(=O)Nc2ccccc12
Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O
[H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21|
COc1ccc(c(n1)S(=O)(=O)c1ccccc1)[N+]([O-])=O
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
Cc1cc2[nH]c3c(c(C)nc4ccccc34)c2cc1C
Cc1c(C(=O)Nc2ccccc2)c2ccc(cc2n1O)C(F)(F)F
CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1
COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
Cc1cccc(c1)-n1ncc(Cl)c(Cl)c1=O
COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Brc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
C=CCOc1cccc(c1)C(=O)\C=C1\C(=O)Nc2ccccc12
C=CCOc1ccccc1C(=O)\C=C1\C(=O)Nc2ccccc12
COc1ccc(C(=O)\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
[O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
Clc1cc(oc(=O)c1Cl)-c1ccccc1
[O-][N+](=O)c1cc(Br)c(Nc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
CCOc1cc(\C=C2/COc3ccccc3C2=O)cc(Br)c1OCC(=O)N(C)C
COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
COc1ccc(cc1)\N=C1\S\C(=C/c2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)N1CCN(C)C
CCN(CC)CCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
COc1ccc(OC)c2sc(nc12)N(CCN(C)C)C(=O)\C=C\c1cccs1
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccccc2)c1
Clc1cnc(nc1C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
Cc1cccc(C)c1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(C)cccc2s1
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)NCc1ccccc1C)-c1ccc(C)cc1
[O-][N+](=O)c1ccc(F)c(C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1F
COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
[O-][N+](=O)c1cc(\C=C2/SC(=O)N(CCNC(=O)C3=COCCO3)C2=O)ccc1Cl |t:17|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
O=C(Nc1cccc(c1)N1C(=O)C=CC1=O)c1cccs1 |c:13|
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O
CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
Clc1cnn(CC(=O)Nc2ccc3OCOc3c2)c(=O)c1Cl
Clc1nss\c1=N/c1nncs1
COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
Fc1ccc(cc1)-n1sc2ccccc2c1=O
Clc1cnn(CC(=O)NC(=O)NC2CCCCC2)c(=O)c1Cl
CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Cn1cnc(c1S(=O)(=O)Oc1cccc2ccccc12)[N+]([O-])=O
Clc1cnn(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(=O)c1Cl
Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O |c:16,t:12|
Clc1ccc(cc1)-c1ccc(\C=C(\C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
Clc1cc(Cl)cc(CN2Cc3cnnn3-c3ccccc3C2C#N)c1
CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O
CCOC(=O)c1cc(cc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O)[N+]([O-])=O
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21
[H]C12OC3C=C(C)C(CC3(COC(C)=O)C(C)(C(OC(C)=O)C1O)C21CO1)OC(=O)CC(C)C |t:4,TLB:26:24:17.22:2.9.3,18:17:24:2.9.3,THB:10:9:24:17.22,23:22:24:2.9.3,8:9:24:17.22,25:24:17.22:2.9.3|
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N |c:10,t:12|
[H]C12Cc3ccc(O)c(Oc4ccc(CC([H])(N(C)C(=O)C(C)NC(=O)C(Cc5ccc(OC)cc5)N(C)C(=O)C(C)NC(=O)C(C)NC1=O)C(=O)N2C)cc4)c3
c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O
[H]C12CC3OC(=O)\C=C/C=CC(OCC(O)C(C)CC(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1)C(C)O |c:7,28,TLB:36:34:3.2:31.23.30,35:34:3.2:31.23.30|
CC1COC2(CC1OC(=O)\C=C\c1ccccc1)OC1CC(CCC1C21CO1)C(=O)OC1OC(C)C(O)C(OC(C)=O)C1OC1OC(C)C(O)C(OC(C)=O)C1O
C=CC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
COC(=O)C1(C)CCCC2(C)C3CCC4(O)CC3(CCC12)C(=O)C4=C
OC1C(O)C(O)C2C(NC(=O)c3c(O)c4OCOc4cc23)C1O
[H]C12OC([H])(C(C(=O)OC)=C1C(=O)OC)c1cc3ccccc3cc21 |c:9,TLB:23:24:2:10.5,11:10:2:24.15,THB:6:5:2:24.15,16:15:2:10.5|
[O-][N+](=O)c1ccc(\C=C2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
[H][C@]12C[C@H](OC(C)=O)[C@](C)([C@@]11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
[H]C12CC3OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1 |c:29,TLB:37:35:3.2:32.24.31,36:35:3.2:32.24.31|
CC1OC2(CC3N4C(=O)C5(CO)SSC4(CC3(O)C2OC(C)=O)C(=O)N5C)C(=O)C1(C)C |TLB:24:23:13.12:6.7,26:25:13.12:6.7|
Brc1cn(CC2(CC(=C)C(=O)O2)c2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:22,t:4|
Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)cc3)C2=O)C(=O)C=C)cc1
Fc1ccc(\C=C2\CN(C\C(=C\c3ccc(F)cc3)C2=O)C(=O)C=C)cc1
CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CC(C)(C)NCC(=Cc1ccccc1)C(=O)c1ccccc1
Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)c(Cl)c3)C2=O)C(=O)CCN2CCOCC2)cc1Cl
CCOP(=O)(CCP(=O)(OCC)OCC)OCC
CN(C)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
CCN(CC)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
O=C(CCN1CCCCC1)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
O=C(CCN1CCOCC1)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1
CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O
[H]C12CC(OC(C)=O)C(C)(C11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O |r,c:10|
Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCc2ccccc2F)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCc1ccccc1F
O=C1C(Cc2ccccc12)=C(N1CCOCC1)c1ccccc1
CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)OC(=O)CC23)C1 |t:15|
Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
COc1ccc(cc1)-n1sc2ccccc2c1=O
CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
[O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+]([O-])=O
CCSc1ccc(cc1)-c1cc(NC=O)c2ncc(-c3cccc(c3)C(=O)NCCN(C)C)n2c1
OC(c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc23)cc1)(C(F)(F)F)C(F)(F)F
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1CCN(CCC2CCCCC2)CC1
CC(OC(=O)c1ccc(c(c1)[N+]([O-])=O)[S+](C)([O-])=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:27:22:30:26.28.25,27:26:22.21.23:30,THB:25:26:21:24.23.30,20:21:24.23.30:26.27.28,20:21:30:26.28.25|
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C3CC1)C(=O)C2=C
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
[H][C@]12C[C@@]3([C@H](C[C@]4([H])[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)[C@]3([H])CC1)C(=O)OC)OC(C)=O)C(=O)C2=C
O=c1ccc2ccccc2c2ccccc12
[#6]-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#6](/C#N)-c1ccccc1 |c:6,9|
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C(C)C)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCCCCN1[C@@H]2c3ccc(Cl)cc3C[C@]2(C(=O)OCC)c2ccc(OC)cc2C1=O
CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
[H][C@]12CN([C@H](CC1)C(=O)NC1CCCNC1)C(=O)N2OS(O)(=O)=O |r|
[H][C@]12CN([C@@H](CC1)C(=O)NC1CCNCC1)C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCCNCC2)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)CC2CCNC2)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccncc2)C1=O |r|
COc1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
CN(C)c1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
NCc1cc(CC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)C2CCNCC2)C1=O |r|
OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)OCC2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCCNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCCNCC2)C1=O |r|
CN1CCC(CC1)NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC[C@@H]2F)C1=O |r|
CO[C@H]1CNCC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCS(=O)(=O)CC2)C1=O |r|
N[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
O[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
O[C@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCN(C3CCNCC3)C2=O)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCCNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCCNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2(F)CNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCCN2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCCCN2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCNCC2)C1=O |r|
OCC(NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O)C1CCNCC1 |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC[C@@H]2CNCCCO2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC[C@H]2CNCCCO2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCC2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCN2CCCCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCN2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2C3CNCC23)C1=O |r|
CN(C1CCNCC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
NCC1CCCCN1C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
NC1CCN(CC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CC3(C2)CCNCC3)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CC3CNCC3C2)C1=O |r|
N[C@@H]1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
N[C@H]1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
CN(C)C1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
NCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
NCc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
CNCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
CNCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(CN3CCCC3)cc2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3CNCc3c2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3NCCc3c2)C1=O |r|
OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
NC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
NC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O |r|
[O-]S(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cc(nc(c2)N2CCCC2)N2CCCC2)C1=O |r|
Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1 |r|
CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
NCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1 |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cc(ccn2)C2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccc(n2)C2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCOCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cnccn2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccncn2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccnc(n2)N2CCNCC2)C1=O |r|
Cn1ccnc1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
CN1CCN=C1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r,c:4|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nccs2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nc3CCNCc3s2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@@H]2F)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNOC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNOC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNNC2)C1=O |r|
NCCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCN2CCCCC2)C1=O |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCC2CCNCC2)C1=O |r|
CC1(COC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)CCNCC1 |r|
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCC2CNCCCO2)C1=O |r|
NCc1ccc(OC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
[H][C@]12CN([C@@H](CC1)C(=O)OCCNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)N2S(O)(=O)=O |r|
CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O |r|
OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
[O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CSCn2n1 |t:3|
[O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CCSCn2n1 |t:3|
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
NC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O
CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C
C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
C=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:11.13|
C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:6.14|
O=CC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1|
OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3|
OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3|
CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:11.19,6.6|
CC(=O)OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:16.18,6.6|
COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12|
COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17|
CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22|
CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31|
OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15|
OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4|
OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15|
COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24|
CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22|
OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
OCC=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:2.1|
ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4|
COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
[N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r|
CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3|
CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12|
CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15|
CCCC1(N2[C@@H](CC2=O)OC1=CCO)C([O-])=O |w:11.13|
COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12|
OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(=O)(=O)O[Na] |r|
CC1(Cn2ccnn2)[C@H](N2C(CC2=O)S1(=O)=O)C(=O)O[Na] |r|
CC1=C(C(=S)C=CO1)O
Nc1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(N)(=O)=O)c2[nH]1
Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(N)(=O)=O)c2n1
NS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2o1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(N)(=O)=O)c2nc(N)sc12
CNS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C(O)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
Nc1c(cccc1B(O)O)C#N
OB(O)c1cccc2[nH]cnc12
NCCNS(=O)(=O)c1ccc(-c2cccc3oc(nc23)C(O)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCS(=O)(=O)CC1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCNC(=O)C1
CN(C)CC(F)(F)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN1CCOC(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)C1
CN1CCCC(C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CCC(=O)N1
Cn1cnc(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)n1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCC1
CN(C)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CNC(=O)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
COCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(CO)CC1
CN(C)C1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCNC(=O)C1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCOCC1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCC1CNC1
CNCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCNCC1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCCCC1=O
COc1ccnc(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)n1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCc2nccn2C1
CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1
CN1CC2(C1)CCN(C2)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN(C)C1CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC2CC1CS2(=O)=O |TLB:25:28:33.34:31|
CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC(F)(F)C1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(F)(F)C1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCS(=O)CC1
CS(=O)(=O)C1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(F)CNC1
NCC(F)(F)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC2(C1)CCNC2
NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)(F)F
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@@H]12 |r|
CC(CN1CCOCC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN(C)CCCN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN1CCC(C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN(C1CCN(C)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(N)(CO)C1
CCC1(CCNC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CC1(CCCNC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@@H]1F |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@@H]1F |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
N[C@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
N[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(C1CCCNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN([C@H]1CCNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
N[C@H]1CCCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@@H]2CCN(C2)C(=O)OC(C)(C)C)cc1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
NC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
N[C@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:3.5,wD:1.0,(6.24,-6.26,;5.47,-4.93,;5.87,-3.44,;4.38,-3.04,;3.98,-4.53,;3.05,-2.27,;3.05,-.73,;4.38,.04,;4.38,-1.5,;1.72,.04,;.38,-.73,;-.95,.04,;-.95,1.58,;-2.29,2.35,;-2.29,3.89,;-3.62,4.66,;-4.95,3.89,;-4.95,2.35,;-6.1,1.32,;-5.47,-.09,;-6.24,-1.42,;-3.94,.07,;-3.62,1.58,;.38,2.35,;.38,3.89,;1.63,4.8,;1.15,6.26,;-.39,6.26,;-.86,4.8,;1.72,1.58,;3.05,2.35,;4.38,3.12,;4.38,1.58,;3.45,3.84,)|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)cc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H]2CN(CCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H]2CN(CCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CO)NC(=O)OCc2ccccc2)cc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H]2CN(C[C@@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=C)(=C)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H](CO)CNC(=O)OCc2ccccc2)cc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1
COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CCNCC1
CC(C)(N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CC2CNC1C2
NCCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCN(CCO)CC1
CNCCCN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC1CC2OC1CCC2NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1COCCN1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CN2CCC1CC2 |(-6.65,-1.33,;-5.88,-0,;-4.34,.16,;-4.02,1.67,;-2.69,2.44,;-2.69,3.98,;-4.02,4.75,;-5.36,3.98,;-5.36,2.44,;-6.5,1.41,;-1.36,1.67,;-1.36,.13,;-.02,-.64,;1.31,.13,;1.31,1.67,;-.02,2.44,;-.02,3.98,;1.22,4.88,;.75,6.35,;-.79,6.35,;-1.27,4.88,;2.64,2.44,;3.98,3.21,;3.98,1.67,;3.04,3.92,;2.64,-.64,;3.98,-1.41,;3.98,.13,;2.64,-2.18,;3.98,-2.95,;3.98,-4.49,;5.31,-5.26,;6.65,-4.49,;6.65,-2.95,;5.31,-2.18,;6.01,-3.4,;4.82,-4.09,)|
N[C@H](NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)c1ccccn1 |r|
CN(CCc1ccncc1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CC1(CN)CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN1CCC(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)C1
N[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCC1CN(CCO1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCc1ccccn1
CN(C1CN(C)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
CC(N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1C2CNCC12
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CNCCO1
NC1C2CN(CC12)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CCOC1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CCOCC1
CC(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC(CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1C[C@@H]2CN[C@H]1C2 |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CCNC1
CN(C[C@@H]1CCCN1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(F)CCCNC1 |r|
NC(CF)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
C[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
COC(=O)[C@H]1C[C@H](CN1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
CN(C)C(=O)c1ccccc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3nc(O)[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3OC(F)(F)Oc23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1c(cccc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1)C#N |r|
NS(=O)(=O)c1c(ccc(-c2ccc3nonc3c2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
Cn1nnc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2ccc3CNC(=O)c3c2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3cn[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cnc3ccccn23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCO
NCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
NC1CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NC1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CC1
CN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC(O)=O
N[C@H](CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(O)=O |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
CS(=O)(=O)Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
Nc1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N3CCNCC3)c2[nH]1
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
Nc1nc2c(cccc2o1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
NS(=O)(=O)c1c(ccc(-c2cccc3cn[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N1CCNCC1
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CCNC1
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(N)(=O)=O |(-5.95,-2.93,;-4.46,-2.53,;-4.06,-1.04,;-2.58,-.64,;-1.49,-1.73,;-1.89,-3.22,;-3.37,-3.62,;,-1.33,;1.09,-2.42,;2.58,-2.02,;3.03,-.52,;1.89,.56,;.4,.16,;-.69,1.25,;-2.23,1.25,;-2.71,2.71,;-1.46,3.62,;-.21,2.71,;2.28,2.04,;3.62,2.81,;2.28,3.58,;3.77,1.64,;4.52,-.12,;4.6,1.42,;6,.28,;4.91,-1.61,)|
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[n-]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CC[N+](C)(C)C1
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@@H]1O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@@H]1O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@H]1O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@H](CO)C1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@@H](CO)C1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CN[C@@H](CO)C1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CN[C@H](CO)C1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@]1(CO)CCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@]1(CO)CCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
NCCNS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1nc2c(cc(F)cc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCCN
C[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H](CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(N)=O |r|
N[C@@H](CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(N)=O |r|
N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC(=N)c1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
NCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@H]1CCNC1 |r|
NCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
N[C@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,wU:3.5,wD:1.0,(6.7,-4.83,;5.93,-3.5,;6.33,-2.01,;4.85,-1.61,;4.45,-3.1,;4.08,-.28,;2.54,-.28,;2.54,-1.82,;3.31,1.06,;1,-.28,;.23,-1.61,;-1.31,-1.61,;-2.08,-.28,;-3.62,-.28,;-4.39,1.06,;-5.93,1.06,;-6.7,-.28,;-5.93,-1.61,;-6.41,-3.07,;-5.16,-3.98,;-3.92,-3.07,;-4.39,-1.61,;-1.31,1.06,;-2.08,2.39,;-3.62,2.55,;-3.94,4.06,;-2.6,4.83,;-1.46,3.8,;.25,1.11,;1.02,2.44,;2.36,1.67,;1.79,3.77,;-.31,3.21,)|
NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCCOCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NCCNC(=O)c1cccc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
N[C@@H]1CN(CC[C@H]1F)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1COCCN1
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1CCN1
C[C@H](N)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1
NCC(CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCc1c[nH]cn1
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCc1ncc[nH]1
Nc1cncc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cccnc2N2CCNCC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cncc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccncc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnccc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2nc[nH]n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1
N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccc(c2)C2N=CN=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,c:21,23|
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)-c2nc[nH]n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2n[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc(c2)-c2n[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc(n[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1
CN1CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[N+]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc2c(cc(I)cc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]nnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(-c2cccc3nonc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3nonc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
CNc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CNc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
CN([C@H]1CCNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[N+]1(C)CC(C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCN1CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC(CO)(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
C[N+]1(CCN)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[N+]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
NC[C@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
CN1CC(C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
CC1(CNC1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCNC1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CCNCC1
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCNC1 |r|
CC[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CCN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CCN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCN1CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC(=O)NC1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r,c:9|
NCC(=O)NC1CCC[C@H](C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r,w:5.4|
NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H](N)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@@H](N)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1nc2cc(ccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1nc2cc(ccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1ncc([nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCn1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Cn1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
NS(=O)(=O)c1c(ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1ncc(s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCn1nnc2c(ccnc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCc1csc(Nc2cccc(c2)-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)n1 |r|
NS(=O)(=O)c1c(ccc(-c2cccn3ccnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
Cn1nnc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
Nc1nc(c[nH]1)-c1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
N[C@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H](CO)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H](O)CN |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H](CO)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1N |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@@H](N)CO)c2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@H](N)CO)c2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@H](N)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H](N)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CCN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(C2=CC(N)CCC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |t:11|
N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5|
NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
NCCNS(=O)(=O)c1ccc(C2CCC[C@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(c2)C(=O)N[C@@H]2CNC[C@H]2O)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(c2)C(=O)NC[C@H](O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2ccc3ncn(CCN)c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(SCC(N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(SC[C@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(SC[C@@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc3ncccc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1
N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[N+](C)(C)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
C[N+](C)(C)CCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
C[C@H](CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3n(C)c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc2c(cc(F)cc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
NCCNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCCNS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1O |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@H](CO)C1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]nnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CNC[C@@H]1O |r|
N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](N)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3nc(N)[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1nc(c[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
CCOC(=O)c1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC(CN)CN
NCc1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNCc1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2ccnc(c2)-c2cnc(N)[nH]2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(n2)-c2cnc(N)[nH]2)c(-c2nnn[nH]2)c1S(N)(=O)=O
Nc1ncc([nH]1)-c1cccc(n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Nc1ncc([nH]1)-c1cc(ccn1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H](N)Cc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H](N)Cc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C2CNC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H]2C[C@@H](O)CN2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C(F)(F)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC(F)(F)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
NCCNC(=O)c1cc(Cl)cc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
CN(CCN)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNC(=O)c1cc(Cl)cc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNC(=O)c1cc(ccc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
NCCNS(=O)(=O)c1ccc(-c2ccccc2NC(=O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)[C@@H](N)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)[C@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2cccc3NCCCc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCO
NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccnc2NCCN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2ccnc(CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCc1nc(c[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1N |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
Cc1cc(cnc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H](O)CN |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(-c2cccc(Nc3nc(CO)cs3)c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)c1csc(Nc2cccc(c2)-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)n1 |r|
NS(=O)(=O)c1c(ccc(-c2cccc(Nc3ncc[nH]3)c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@H]1CCNC1 |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
Cc1cc(cnc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)NC[C@H]1CNCCN1 |r|
NCCNCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
N[C@H]1CC(C1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,wU:1.0,(7.92,1.2,;6.83,.11,;6.83,-1.43,;5.29,-1.43,;5.29,.11,;4.2,-2.52,;2.86,-1.75,;2.86,-.21,;2.86,-3.29,;1.32,-1.75,;.55,-3.08,;-.99,-3.08,;-1.76,-1.75,;-3.3,-1.75,;-4.07,-3.08,;-5.61,-3.08,;-6.38,-1.75,;-7.92,-1.75,;-5.61,-.41,;-4.07,-.41,;-.99,-.41,;-1.76,.92,;-3.3,.92,;-3.77,2.38,;-2.53,3.29,;-1.28,2.38,;.58,-.37,;1.35,.97,;2.86,.65,;2.12,2.3,;.02,1.74,)|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1CCNC1
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
NC[C@@]1(CCNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@]1(CCNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CCNCC1
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1
NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
CC1(CNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
C[C@H](CCN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@@H](CCN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCN1CCC(C1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O |r,t:1|
CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O |r,c:11|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7|
NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O |r,c:7|
CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:9|
CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:12|
CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O |r,t:1|
CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O |r,t:1|
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O |r|
OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(F)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
CC1CC(CN)CCN1c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
C[C@H](CN)NS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H]1CCN(C[C@@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[C@H](CN)NS(=O)(=O)c1ccc(N2CC[C@@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2C[C@H]3[C@H](CN)[C@H]3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CC3N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCS(=O)(=O)c1ccc(N2CCCCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NCCS(=O)(=O)c1ccc(N2CCOCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNS(=O)(=O)c1ccc(N2CCC(O)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
C[C@@H](CN)NS(=O)(=O)c1ccc(N2CCC(O)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
COC1(CO)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H](C)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
COC1(CO)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(F)(CO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCN(CCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC(N)=O)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CC2)CNC(=O)OC3)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CCn3cccn3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
N[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1 |r|
N[C@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCC(O)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NC1CCCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
NC1CCCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@@H](CN)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@H](CN)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(N2CCN(CCCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCC(CN)NS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
CC(N)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NCCN1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NS(=O)(=O)c1c(ccc(N2CCC3(CNC3)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2C[C@H](O)C[C@@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCCC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
CC1(O)CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC[C@H](CO)[C@H](F)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC3C(CO)C3C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
NS(=O)(=O)c1c(ccc(N2CCC(O)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(NCCN2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN1CCN(CC1=O)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(NC2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(C)[C@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(C)[C@@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC[C@@H](CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
CC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
C[N+](C)(C)CCCCNc1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CNCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(NCCN2CCNCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCN1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCNCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CCO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CC(=O)N[C@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC1(CO)CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
N[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CCF)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CC2)OCCO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CF)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CC2)C(F)F)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(F)(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)C1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CC(=O)N[C@@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC[C@H](CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC[C@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC[C@@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(C)CC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCOC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCCC(O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCOC(CCO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(Cc3ccccn3)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCC(C2)C(=O)NCCCO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCN(CC2)C(=O)CO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CC2)Oc2ccccn2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC(C2)N2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC(C2)N2CCCCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CC3(C2)CCNCC3)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(C)C1(C)CN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN1CCOC2(CN(C2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)C1 |r|
COC1(CN(C)C)CN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CS(=O)(=O)CCN1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(C2)C(N)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCNC(CO)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CNCCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(N2CCNC(CO)CC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@@H](O)CS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN3CCOCC3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@H](C2)NCCO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C(O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CCNC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1ccc(N2CCC3(CCNCC3)C2=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
NCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
CN(CCO)CCN(C)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC([O-])=O)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
CC1(CN)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCC1CCCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3CNCC3C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)NCCO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H](N)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:14.13,16.16,2.2,(7.47,-.24,;5.93,-.24,;5.16,-1.58,;5.93,-2.91,;3.62,-1.58,;2.85,-.24,;1.31,-.24,;1.31,1.3,;1.31,-1.78,;-.23,-.24,;-1,-1.58,;-2.54,-1.58,;-3.31,-.24,;-4.85,-.24,;-5.62,-1.58,;-7.1,-1.97,;-6.7,-3.46,;-7.47,-4.8,;-5.22,-3.06,;-2.54,1.09,;-3.31,2.43,;-4.85,2.43,;-5.32,3.89,;-4.08,4.8,;-2.83,3.89,;-.97,1.14,;-.2,2.47,;1.31,2.15,;.57,3.81,;-1.53,3.24,)|
NCCC1CN(C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NCCC(=O)N1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCO)C(=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCN1CCN(CC1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NS(=O)(=O)c1c(ccc(N2CCCC(O)C2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCC1CCN(C(=O)C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NOC1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCC(=O)C2=O)c1-n1nnnn1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC\C(=N\O)C2=O)c1-n1nnnn1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCNC2=O)c1-n1nnnn1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCCCC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
N[C@@H]1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
N[C@H]1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC1CCN(C(=O)C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(O)CC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC2)C(CO)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2C[C@@H]3CNC[C@@H]3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCC1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
COC(=O)C1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)C1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2c[nH]cn2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2c[nH]cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2c[nH]cn2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC=C(CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,t:15|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CNC(N)=N3)CC2)c(c1S(N)(=O)=O)-n1nnnn1 |r,c:20|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC3CCC(C2)C3CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,TLB:21:20:19.13.14:16.17|
CC1(C)CN(CCN1CCO)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)n2ccnc2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)=CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,c:18|
CC1CN(CCN1CCO)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C2COC(=O)N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)[C@@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C(N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(NCC2CCNCC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(NC2CCC(N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CCN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@H](CO)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H](CN)CO |r|
NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H](CN)CO |r|
NC[C@@H](CO)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NS(=O)(=O)c1c(ccc(N2CCNC2=S)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(NC2CC(N)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:2.2,(7.47,-.28,;5.93,-.28,;5.16,-1.61,;5.93,-2.94,;3.62,-1.61,;2.85,-.28,;1.31,-.28,;1.31,-1.82,;1.31,1.26,;-.23,-.28,;-1,-1.61,;-2.54,-1.61,;-3.31,-.28,;-4.85,-.28,;-5.62,-1.61,;-7.1,-2.01,;-6.7,-3.5,;-7.47,-4.83,;-5.22,-3.1,;-2.54,1.06,;-3.31,2.39,;-4.84,2.55,;-5.16,4.06,;-3.82,4.83,;-2.68,3.8,;-.97,1.11,;-.2,2.44,;.57,3.77,;-1.53,3.21,;1.31,2.12,)|
NCCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC(=O)[C@@H]1CN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC(=O)[C@H]1CN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
N[C@@H]1CCN(C[C@@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
N[C@H]1CCN(C[C@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2ncc[nH]2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H](CN)CO |r|
NC[C@@H](O)CNS(=O)(=O)c1ccc(Nc2ncc[nH]2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
NCC=C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r,wU:29.32,(-9.62,-2.55,;-8.08,-2.55,;-7.31,-1.22,;-5.77,-1.22,;-5,.11,;-3.46,.11,;-2.7,-1.22,;-3.46,-2.55,;-5,-2.55,;-1.15,-1.22,;-.38,-2.55,;1.15,-2.55,;1.92,-1.22,;1.15,.11,;-.38,.11,;-1.15,1.45,;-.53,2.86,;-1.67,3.89,;-3.01,3.12,;-2.69,1.61,;1.92,1.45,;2.7,2.78,;.59,2.22,;3.41,1.05,;3.46,-1.22,;3.46,-2.76,;3.46,.32,;5,-1.22,;5.77,-2.55,;7.31,-2.55,;8.08,-3.89,;8.08,-1.22,;9.62,-1.22,)|
NC\C=C1/CCCN(C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NCCOCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
NCCOC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O
C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
CCCCCCCCCCc1ccccc1C(O)=O
CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
CCCCCCCCCCCCCCCc1cccc(O)c1
CCCCCCCCCCCCCCCc1cccc(O)c1O
CCCCCCCCCCc1cccc(O)c1
CCCCCCCCCCc1cccc(OC)c1C(O)=O
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCc1cccc(O)c1C(O)=O
CCCCCCCCCCc1cccc(O)c1O
CCCCCCCCCCc1cccc(O)c1C(O)=O
c1cnc(cc1C(=O)O)C(=O)O
c1ccnc(c1)C(=O)O
c1cc(c(nc1)C(=O)O)C(=O)O
OC(=O)c1ccncc1C(O)=O
c1cc(ncc1C(=O)O)C(=O)O
[H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CCSCn2n1)C(O)=O |r,c:3|
C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |r|
[H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CSCn2n1)C(O)=O |r,c:3|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O |r|
c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O
CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r|
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
[NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
[O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1
Cn1ccnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
Oc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
[O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCNC1=O
NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1
Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O
[O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)OCc1ccccc1
Cn1cnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
[O-]S(=O)(=O)N1[C@H]2[C@H](N(C[C@@H]2F)C(=O)OCc2ccccc2)C1=O
NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
[O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 |w:15.17|
NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
[O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)Nc1ccccc1
Cn1nnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
OB(O)c1cccs1
B(c1cc2ccccc2s1)(O)O
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
OB(O)c1cccc(c1)C(F)(F)F
OB(O)c1ccc(Cl)s1
OB(O)c1cc2ccccc2o1
OB(O)[C@@H]1CCOC1
OB(O)c1ccc(F)cc1
B(CCCC)(O)O
B(c1ccc(cc1)C(=O)O)(O)O
B(c1ccc(cc1)\C=C\C(=O)O)(O)O
OB(c1ccccc1)c1ccccc1
CC(=O)c1ccc(s1)B(O)O
OB(O)c1ccc(Br)cc1
OB(O)c1ccc(C=O)cc1
OB(O)c1cccc(c1)C(O)=O
OB(O)c1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)B(O)O
OB(O)c1cccc2ccccc12
COc1ccc(cc1)B(O)O
OB(O)c1ccc2OCOc2c1
OB(O)c1ccccc1C=O
B(c1cccc(c1)/C=C/C(=O)O)(O)O
OB(O)c1sccc1C=O
OB(O)c1ccc(cc1)B(O)O
OB(O)c1ccsc1
OB(O)[C@H]1CCOC1
B(c1ccc2c(c1)cc[nH]2)(O)O
B(c1csc2c1cccc2)(O)O
B(c1ccccc1)(O)O
Cc1csc(c1)B(O)O
OB(O)c1cc2ccccc2c2ccccc12
OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
OB(O)c1ccco1
B(c1ccc2ccccc2c1)(O)O
CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13|
C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O |c:16|
C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O |r|
CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C(N)=O)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
CC1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(COC=O)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(C)=O)S2(=O)=O)C1=O
Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
C[C@]1(COC(=O)CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)SC(=O)c1ccccc1
OC(=O)[C@H](S)Cc1ccccc1
C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
CC(=O)S[C@H](Cc1ccccc1)C(O)=O
C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccccc1)C(O)=O
C[C@@H](NC(=O)CCC(O)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O
C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
C[C@@H](NC(=O)COc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
OC(=O)[C@H](S)Cc1ccc2oc3ccccc3c2c1
CC(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
CCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
OC(=O)[C@H](S)Cc1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)Cc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
CC(C)C(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
OC(=O)[C@@H](Cc1ccccc1)SC(=O)c1ccccc1
C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccccc1)C(O)=O
C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccccc1)C(O)=O
C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1
CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl |(-6.39,-5.83,;-4.86,-5.84,;-4.08,-4.52,;-2.54,-4.53,;-1.61,-3.29,;-2.1,-1.82,;-.85,-.9,;.39,-1.82,;1.86,-1.35,;2.18,.16,;3.35,-2.08,;-.08,-3.29,;.81,-4.53,;2.36,-4.52,;3.12,-5.86,;4.66,-5.84,;5.42,-4.52,;4.63,-3.2,;3.1,-3.2,;6.96,-4.5,;7.72,-5.84,;9.27,-5.84,;10.01,-4.5,;9.25,-3.16,;7.71,-3.16,;7.18,-1.7,;8.42,-.81,;7.94,.66,;6.41,.66,;5.94,-.81,;-1.26,.59,;-2.73,.98,;-3.86,-.07,;-3.12,2.44,;-2.04,3.56,;-.56,3.14,;-.16,1.68,;1.25,1.9,)|
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-2.96,-14.32,;-1.41,-14.32,;-.64,-13.02,;.92,-13.03,;1.82,-11.79,;1.36,-10.32,;2.6,-9.41,;3.84,-10.32,;5.31,-9.83,;5.63,-8.33,;6.79,-10.57,;3.37,-11.79,;4.27,-13.03,;5.81,-13.02,;6.57,-14.35,;8.11,-14.34,;8.86,-13.02,;8.09,-11.69,;6.56,-11.7,;10.41,-13,;11.18,-14.34,;12.71,-14.32,;13.48,-13,;12.69,-11.64,;11.16,-11.67,;10.63,-10.21,;11.87,-9.31,;11.4,-7.85,;9.86,-7.83,;9.38,-9.3,;2.2,-7.88,;3.31,-6.78,;4.76,-6.54,;2.91,-5.28,;1.4,-4.86,;.98,-3.34,;.29,-5.99,;.69,-7.47,;-.47,-8.57,)|
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-5.8,-11.85,;-4.26,-11.87,;-3.45,-10.55,;-1.91,-10.57,;-1.02,-9.31,;-1.5,-7.84,;-.25,-6.94,;1.01,-7.84,;2.47,-7.38,;3.96,-8.12,;2.8,-5.87,;4.28,-5.45,;4.68,-3.96,;.52,-9.31,;1.42,-10.57,;2.96,-10.55,;3.73,-11.88,;5.27,-11.88,;6.03,-10.55,;5.24,-9.22,;3.72,-9.24,;7.57,-10.53,;8.34,-11.88,;9.88,-11.87,;10.63,-10.53,;9.86,-9.19,;8.32,-9.21,;7.77,-7.74,;9.03,-6.84,;8.57,-5.37,;7.04,-5.37,;6.54,-6.83,;-.64,-5.43,;.46,-4.34,;1.87,-4.11,;.04,-2.86,;-1.43,-2.45,;-1.85,-.94,;-2.52,-3.56,;-2.12,-5.04,;-3.26,-6.11,)|
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
CC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
[#6]-[#16]\[#6](-[#16]-[#6])=[#6]1\[#6](-[#6])=[#6](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |c:7|
CC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
NC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:10.10,t:5|
CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1cccc[n+]1[O-] |t:3|
[O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:6|
[O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O |t:3|
CCOC(=O)CNC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:16.16,t:11|
[O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N |t:3|
[O-]C(=O)C1=C(COC(=O)COc2ccccc2)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:7|
NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)C#N |t:3|
CCC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
Oc1ccc(CC(=O)OCC2=C(N3C(\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1O |t:10|
NC(=O)\C=C\C1=C(N2C(\C(=C/c3cccs3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1ccccn1 |t:3|
[O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
[O-]C(=O)C1=C(CC#N)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
[O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C=C |t:3|
COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
O=C(NOC(=O)Oc1ccccc1)OCc1ccccc1
O=C(NOC(=O)Oc1ccccc1)OCCc1ccccc1
N[C@H](Cc1ccc(OC(=O)NOC(=O)Oc2ccccc2)cc1)C(O)=O |r|
N[C@H](CCCOC(=O)NOC(=O)Oc1ccccc1)C(O)=O |r|
CCCCOC(=O)NOC(=O)Oc1ccccc1
OC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1
NC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1
COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O
COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O
CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O
CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O
[O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
[O-]C(=O)CNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
[O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
[O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
[O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 |t:3|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCc1ccccc1 |t:3|
NCCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
NNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
[O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:12|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 |t:3|
ONC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:4|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)Nc1c(F)c(F)c(F)c(F)c1F |t:3|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
[O-]C(=O)C1=CCS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |t:3|
OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:8|
CSC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:2|
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@@H]([C@@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC(C)(C)[Si](C)(C)O[C@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
OB(O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.11|
OB(O)c1cccc(c1)\N=N\c1cccc(c1)S(=O)(=O)c1csc(c1)S(O)(=O)=O
OB(O)c1cc(ccc1O)N=Nc1ccc(Br)cc1 |w:11.12|
OB(O)c1cccc(c1)N=Nc1cc(c2ccccc2c1O)S(O)(=O)=O |w:9.9|
O[B-](=[OH+])c1cccc(c1)N=Nc1cccc(c1O)[N+]([O-])=O |w:9.9|
OB(O)c1cccc(c1)N=Nc1cc(Cl)c(O)c(Cl)c1 |w:9.9|
OB(O)c1cccc(c1)N=Nc1c(O)cc(O)c2ccccc12 |w:9.9|
OB(O)c1cccc(c1)N=Nc1c(O)ccc2ccccc12 |w:9.9|
OB(O)c1cccc(c1)N=Nc1ccc(O)c2ccccc12 |w:9.9|
Cc1noc(C)c1\N=N\c1cccc(c1)B(O)O
OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)cc(O)c2ccccc12 |w:18.19,9.9|
OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)ccc2ccccc12 |w:18.19,9.9|
Nc1cc(ccc1\N=N\c1cccc(c1)B(O)O)B(O)O
OB(O)c1cccc(c1)N=Nc1ccccc1O |w:9.9|
Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17|
Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|
Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4|
[Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3|
COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3|
CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3|
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1 |t:3|
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
[H][C@]12CN([C@@H](CC1)C(=O)NOCCN)C(=O)N2OS(O)(=O)=O |r|
[H][C@@]12CN([C@H](C(N)=O)C(C)=C1)C(=O)N2OS([O-])(=O)=O |r,c:9|
FC(F)(F)c1cc(C(=O)Nc2cccc(c2)-c2nnn[nH]2)c2nc[nH]c2c1
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F
Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F
Cc1cccc(OCC(=O)Nc2cccc(c2)-c2nnc(o2)-c2ccccc2)c1C
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1
Brc1ccc(o1)C(=O)Nc1cccc2ccccc12
OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O |r|
C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)=C(N2C1=O)C(O)=O |r,w:11.11,c:12|
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r|
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r|
COC1(NC(=O)Cc2cccs2)C2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O |c:21|
C[C@]1(\C=C/C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r|
C\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O |t:12|
C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)C(C)(C)C |c:6|
C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(S2=O)C(C)(C)C |c:12|
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
[NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CNCCNC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CNCCOC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CNCCOC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1=O |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCNCCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r|
OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r|
OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
c1cc(sc1)C(=O)O
CC(=O)Nc1c(ccs1)C(=O)O
CS(=O)(=O)Nc1ccc(cc1)C(=O)O
c1cc(c(cc1C(=O)O)O)N
c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O
CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O |r|
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|
CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3
C(C(=O)O)S
COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12 |c:5|
C(CS)C(=O)O
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C(O)=O |r,c:19|
CC\C(C([O-])=O)=C(/CC)C([O-])=O
OB1OCc2ccc(Oc3ccccc3)cc12
OB1OCc2ccc(Sc3ccccc3)cc12
OB1OCc2ccc(Cc3ccccc3)cc12
OB1OCc2ccc(cc12)C(=O)c1ccccc1
OB1OCc2ccc(cc12)C(O)c1ccccc1
OB1OCc2ccc(cc12)S(=O)c1ccccc1
OB1OCc2ccc(cc12)S(=O)(=O)c1ccccc1
OB1OCc2ccc(NC(=O)c3ccccc3)cc12
OB1OCc2ccc(cc12)C(=O)ONc1ccccc1
OB1OCc2ccc(Nc3ccccc3)cc12
COc1cccc(Oc2ccc3COB(O)c3c2)c1
Nc1cccc(Oc2ccc3COB(O)c3c2)c1
OCc1cccc(Oc2ccc3COB(O)c3c2)c1
NCc1cccc(Oc2ccc3COB(O)c3c2)c1
OB1OCc2ccc(Oc3cccc(OCc4ccccc4)c3)cc12
CN(C)Cc1cccc(Oc2ccc3COB(O)c3c2)c1
OB1OCc2ccc(Oc3cccc(c3)C(O)=O)cc12
COc1ccc(Oc2ccc3COB(O)c3c2)cc1
Nc1ccc(Oc2ccc3COB(O)c3c2)cc1
NCc1ccc(Oc2ccc3COB(O)c3c2)cc1
CN(C)Cc1ccc(Oc2ccc3COB(O)c3c2)cc1
CCOC(=O)c1ccc(Oc2ccc3COB(O)c3c2)cc1
OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12
OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12
OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12
CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1
CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1|
CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1
CO\N=C(/C(=O)NCP(O)(O)=O)c1cccs1
CO\N=C(\C(=O)NCP(O)(O)=O)c1cccs1
[O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1
CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1
C[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
C[N+]1(C)CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
OCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
OCCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
NCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
CN(C)CC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
OS(=O)(=O)N1[C@@H]2CCN[C@@H]2C1=O |r|
NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CC(C)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CN(C)CCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CN(C)CCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CN(C)CCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CNCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
COC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
CC(=O)C=C1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O |w:3.2|
CC(C)(C)OC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
COC(=O)\C=C1/[C@@H]2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2(=O)=O |t:14|
CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5|
COC(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:14|
CC(=O)OCC1=C(N2[C@@H](C(=C=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
CC1(C)S[C@H]2N([C@H]1C([O-])=O)C(=O)\C2=C\C([O-])=O
CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
[O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
[O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
CCN1C(=S)S\C(=C/c2ccccc2)C1=O
SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
[O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
[O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
C\C=C1/[C@@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
C\C=C1/[C@@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
CC1CS[C@@H](NC1C([O-])=O)c1nc(O)c([nH]c1=S)-c1ccccc1
CC[C@H]1[C@@H]2C[N@@](C(C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(OC)=C2)C1=O |c:23|
COC1=C[C@H]2C[N@@](C1C(O)=O)C(=O)C2 |t:2|
COC1=C([N@@]2C[C@@H](CC2=O)C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:2|
CC[C@H]1[C@@H]2C[N@](C1=O)C(C(O)=O)=C(C2)OC |c:12|
COC1=C[C@H]2C[N@@](C1C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C2 |t:2|
CC[C@H]1[C@@H]2C[N@](C1=O)C(C(=O)OCc1ccc(cc1)[N+]([O-])=O)=C(C2)OC |c:23|
CON(C)C(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(C=CCO)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
C[C@]1(\C=C/C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
CC(=O)C=C[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |w:3.2|
C[C@]1(\C=C\c2nnco2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\COC(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
CCOC(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=O)N3S(O)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1
CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O
[#6]-1-[#6]-[#7]-[#6]-[#6](-[#6]-1)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
CC(C)(C)c1cc(\C=C2\C(=O)Nc3ncccc23)cc(c1O)C(C)(C)C
Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9|
Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
[#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
CCCCc1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)cc1)C(O)=O
Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O
CC(C)CC(Oc1ccc(OC(=O)c2cc(nc(c2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)cc1)C(O)=O
COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCCc1ccccc1
CCCCCCC(Oc1ccc(cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(O)=O
Oc1cc(c2ccccc2c1N=Nc1ccc2ccccc2c1O)S(O)(=O)=O |w:12.14|
OC(=O)c1cc(nc(c1)-c1ccc(cc1)-c1ccccc1)-c1ccc(Cl)cc1
Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCNc1ccc(cn1)[N+]([O-])=O
OC(=O)COc1ccc(cc1)N=Nc1ccc2cc(Br)ccc2c1O |w:11.11|
Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Clc1ccc2sc(Sc3nnc(NC(=O)c4cccs4)s3)nc2c1
[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I
Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
CC(C)(C)c1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
Oc1ccc(cc1)N=Nc1cccc(Br)c1 |w:7.7|
Cc1ccc(cc1)-c1cc(cc(n1)-c1ccc2ccccc2c1)C(O)=O
Oc1c(N=Nc2ccc(Br)cc2S([O-])(=O)=O)c(cc2cc(c(N=Nc3ccc(Br)cc3S([O-])(=O)=O)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O |w:4.4,23.24|
COC1CC[C@@]2(C)[C@@H](CCC3C4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)C23)C1
CN(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
[O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12|
OC(=O)C1(C(O)=O)C23c4c5-c6c7c8c9c%10c%11c%12c%13c%14-c(c5C75C(C(O)=O)(C(O)=O)C%10%135)c5c4-c4c2c2c7c%10c%13c(c6C13%10)c8c1c9c3c%11c6c8c%12c9c%14C55C(C(O)=O)(C(O)=O)C55c4c4c%10c5c9c8c5c%10c8c(c24)c7c2c%13c1c1c2c8c5c6c31
Oc1c2c(cc(Cl)cc2=C)s\c1=c1/sc2cc(Cl)cc(=C)c2c1O
O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
OC(=O)c1cc(nc(c1)-c1ccc(Sc2ccc(Cl)cc2)cc1)-c1ccc(Cl)cc1
Oc1ccc2ccccc2c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O |w:11.12|
Oc1c2CCCCc2ccc1\C=C1\C(=O)Nc2ccccc12
COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Cc1cccc(c1C)Nc2ccccc2C(=O)O
CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
c1ccc(cc1)COC(=O)c2ccccc2
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(O)=O)cc1
[O-]S(=O)(=O)CCCSc1nc2ccccc2s1
OC(=O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1
Cc1oc(C)c(c1C(O)=O)S(=O)(=O)Nc1cccs1
c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl
OC(=O)CCSc1nc2ccccc2s1
Cc1scc(NS(=O)(=O)c2ccc(C)cc2)c1C(O)=O
B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O
B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O
CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14|
CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14|
CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15|
CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
OC(=O)c1csc(n1)C(=O)CNC(=O)Cc1ccccc1
Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:8|
CC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:11|
CC(C)(C)OC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:15|
OC(=O)[C@@H]1CSC(CNC(=O)Cc2ccccc2)=N1 |r,c:18|
COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1 |r,t:12|
CC(C)(C)OC(=O)NCC1=N[C@@H](CS1)C(O)=O |r,t:9|
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
OC(=O)[C@@H]1CSC(=N1)c1ccccc1 |r,c:6|
OC(=O)c1csc(Cc2ccccc2)n1
OC(=O)c1csc(n1)-c1ccccc1
OC(=O)[C@H]1CSC(=N1)c1ccccc1 |r,c:6|
OC(=O)[C@@H]1CSC(Cc2ccccc2)N1 |r|
OC(=O)[C@@H]1CSC(N1)c1ccccc1 |r|
OC(=O)[C@@H]1CSC(=N1)c1ccc(Br)cc1 |r,c:6|
OC(=O)[C@@H]1CSC(=N1)c1ccccc1O |r,c:6|
OC(=O)[C@@H]1CSC(CNC(=O)OCc2ccccc2)=N1 |r,c:19|
OC(=O)[C@@H]1CSC(Cc2ccccc2)=N1 |r,c:14|
OC(=O)[C@@H]1CSC(=N1)c1ccc(Cl)cc1 |r,c:6|
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]1
OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(c2)[N+]([O-])=O)[nH]1
OC(=O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
OC(=O)CCc1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
OC(=O)c1cccc(c1)-c1nccs1
Cc1cc2ccc(cc2cn1)C(O)=O
c1cc2c(cc[nH]2)cc1C(=O)O
c1ccc(cc1)C(=O)O
OC(=O)c1cccc(c1)-c1cccnc1
c1ccc(cc1)c2ccncc2
OC(=O)c1cccc(c1)-c1ccccc1
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
OC(=O)c1cccc(c1)-c1ccncc1
OC(=O)CCCc1c[nH]c2ccccc12
c1ccc(cc1)Oc2ccc(cc2)C(=O)O
Nc1cccnc1-c1cccc(c1)C(O)=O
OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
OC(=O)CSc1ccnc2cc(Cl)ccc12
OC(=O)c1ccc2ccncc2c1
OC(=O)c1cccc(c1)C#Cc1ccccc1
CC(=O)c1cccc(c1)-c1ccncc1
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3o1)S2(=O)=O
[H][C@]12S[C@@](C)(CSc3nnnn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15|
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nccn1C)S2(=O)=O
[H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@]12S[C@@](C)(CSC3=NCCS3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O |t:7|
[H][C@]12S[C@@](C)(CSc3nccn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3[nH]1)S2(=O)=O
[H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
[H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
O=C(N1CCS1(=O)=O)c1ccccc1
CC(C)C1CN(C(=O)c2ccccc2)S1(=O)=O